4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

C17H17N3O3S2 — CID 110534082

IUPAC4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1cc(/C=N\Nc2nc(-c3cccs3)cs2)cc(OC)c1OC
InChIInChI=1S/C17H17N3O3S2/c1-21-13-7-11(8-14(22-2)16(13)23-3)9-18-20-17-19-12(10-25-17)15-5-4-6-24-15/h4-10H,1-3H3,(H,19,20)/b18-9-
InChIKeyBADBIAMVENDRLI-NVMNQCDNSA-N
MW375.48 g/mol
LogP4.34
Rot. Bonds7

About 4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine

4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 110534082) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID110534082
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC Name4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESCOc1cc(/C=N\Nc2nc(-c3cccs3)cs2)cc(OC)c1OC
InChIInChI=1S/C17H17N3O3S2/c1-21-13-7-11(8-14(22-2)16(13)23-3)9-18-20-17-19-12(10-25-17)15-5-4-6-24-15/h4-10H,1-3H3,(H,19,20)/b18-9-
InChIKeyBADBIAMVENDRLI-NVMNQCDNSA-N
XLogP4.34
TPSA64.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 2332955
N-[(Z)-(4-methoxy-3-propoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110534182
N-[(Z)-pyridin-4-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110539249
N-[(Z)-(3-ethoxy-2-methoxyphenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535173
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110535518
N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 110531994
N-[(Z)-(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110530024
2-ethoxy-6-nitro-4-[(Z)-[(4-thiophen-2-yl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136781771
2-N-[(3-iodo-4,5-dimethoxyphenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168625814
3-methoxy-5-[(E)-[(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 135571881
N-[(3-fluoro-4,5-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618979
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 6308548

Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine (CID 110534082) is 4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is COc1cc(/C=N\Nc2nc(-c3cccs3)cs2)cc(OC)c1OC.
What is the InChIKey of 4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is BADBIAMVENDRLI-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-21-13-7-11(8-14(22-2)16(13)23-3)9-18-20-17-19-12(10-25-17)15-5-4-6-24-15/h4-10H,1-3H3,(H,19,20)/b18-9-.
What are the key properties of 4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine?
4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 375.48 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 110534082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).